N-[(3-nitrophenyl)methyl]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline

Systemtic Name: N-[(3-nitrophenyl)methyl]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline Openeye Name: N-[(3-nitrophenyl)methyl]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline CAS Name: N-[(3-nitrophenyl)methyl]-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]aniline IUPAC Name: N-[(3-nitrophenyl)methyl]-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline Traditional Name: (3-nitrobenzyl)-[4-[[4-(2-pyrimidyl)piperazino]methyl]phenyl]amine Formula: C22H24N6O2 MolecularWeight: 404.46496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])C4=NC=CC=N4

InChI

InChI=1S/C22H24N6O2/c29-28(30)21-4-1-3-19(15-21)16-25-20-7-5-18(6-8-20)17-26-11-13-27(14-12-26)22-23-9-2-10-24-22/h1-10,15,25H,11-14,16-17H2